SCHEMBL3695466

SCHEMBL3695466

CCN(C=O)C(O)[C@H]1O[C@@H](n2cnc3c(N)nc(N(CCC(=O)NCCN)CCc4ccccc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.46
ADORA2A P29274 8/20 0.46
ADORA1 P30542 7/20 0.46
ADORA2B P29275 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3641899 0.89 ADORA3 (0.47) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL724837 0.83 ADORA2A (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5964634 0.83 ADORA2A (0.51) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4064085 0.82 ADORA3 (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2778893 0.81 PRKACA (0.41) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2295172 0.80 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8109955 0.78 ADORA2A (0.64) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1081737 0.77 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL6754869 0.76 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL2031971 0.76 ADORA2A (0.67) ADORA3ADORA2AADORA1ADORA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO claimed
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity NORTHEASTERN UNIVERSITY 2016-03-10 US disclosed
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 US disclosed
US-20090005358-A1 Compositions and methods for treating medical conditions LG CHEM, LTD. (KR) 2009-01-01 US disclosed
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels COMBINATORX, INC. 2008-01-03 US disclosed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP disclosed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005358-A1 Compositions and methods for treating medical conditions ITCH, TSLP, P2RX5 ADORA3 272/4885ADORA2A 542/4885ADORA1 366/4885
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 3/4885
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B ADORA3 22/4885ADORA2A 10/4885ADORA1 14/4885
US-20080003213-A1 Methods and compositions for the treatment of diseases or conditions associated with increased C-reactive protein, interleukin-6, or interferon-gamma levels IFNG, IL6, IL36G ADORA3 159/4885ADORA2A 47/4885ADORA1 135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.